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Succinimide
CAS: 123-56-8 | C4H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-56-8
Molecular Formula:
C4H5NO2
Molecular Weight:
99.089 g/mol
Names and Synonyms:
Succinimide
NSC 49152
NSC 13114
NSC 11204
Lubrizol 6406
Succinic acid imide
2,5-Dioxopyrrolidine
Succinic imide
2,5-Diketopyrrolidine
Butanimide
Succinimide
2,5-Pyrrolidinedione
Identifiers:
SMILES:
O=C1CCC(O)=N1
InChI:
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 99.089 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 99.0320284 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 49.66 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 0.26330000000000003 | RDKit |
molecular_mass | 99.09 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Succinimide None | Legacy Database |
cas-boiling-point | 288 °C None | Legacy Database |
cas-canonical-smile | O=C1NC(=O)CC1 None | Legacy Database |
cas-inchi | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) None | Legacy Database |
cas-inchi-key | InChIKey=KZNICNPSHKQLFF-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 126.5 °C None | Legacy Database |
cas-name | Succinimide None | Legacy Database |
wikipedia-name | Succinimide None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 24.304799999999993 | RDKit |